- InChI
- InChI=1S/C19H34O4/c1-3-5-13-17-23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-6-4-2/h4H,2-3,5-17H2,1H3
- InChI Key
- UPVFJMDNNUJSQE-UHFFFAOYSA-N
- Formula
- C19H34O4
- SMILES
- C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
- Molecular Weight1
- 326.47
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9672 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.960 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1118.56 | kPa | Joback Calculated Property |
| Inp | [2274.00; 2274.00] |
|
|
| Inp | 2274.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Tboil | 625.79 | K | Relay (1.0) Calculated Property |
| Tc | 782.65 | K | Relay (1.0) Calculated Property |
| Tfus | 260.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.094 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.64; 957.60] | J/mol×K | [747.44; 922.94] |
|
| Cp,gas | 866.64 | J/mol×K | 747.44 | Joback Calculated Property |
| Cp,gas | 884.17 | J/mol×K | 776.69 | Joback Calculated Property |
| Cp,gas | 900.73 | J/mol×K | 805.94 | Joback Calculated Property |
| Cp,gas | 916.34 | J/mol×K | 835.19 | Joback Calculated Property |
| Cp,gas | 931.00 | J/mol×K | 864.44 | Joback Calculated Property |
| Cp,gas | 944.75 | J/mol×K | 893.69 | Joback Calculated Property |
| Cp,gas | 957.60 | J/mol×K | 922.94 | Joback Calculated Property |
| η | [0.0000519; 0.0017346] | Pa×s | [386.79; 747.44] |
|
| η | 0.0017346 | Pa×s | 386.79 | Joback Calculated Property |
| η | 0.0006520 | Pa×s | 446.90 | Joback Calculated Property |
| η | 0.0003091 | Pa×s | 507.01 | Joback Calculated Property |
| η | 0.0001716 | Pa×s | 567.12 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 627.22 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 687.33 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 747.44 | Joback Calculated Property |
Similar Compounds
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Sources
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